Sodium p-methylphenolate

HCID 23673456

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기본 정보

CAS: 1121-70-6
표준 SMILES: Cc1ccc([O-])cc1.[Na+]
InChIKey: ZECBPBHBGNLLMU-UHFFFAOYSA-M
분자식: C7H7NaO
평균 분자량: 130.12 g/mol
단동위원소 질량: 130.03945912

이름 및 식별자

우선 이름: Sodium p-methylphenolate
IUPAC: sodium 4-methylphenolate

이름 및 동의어

Sodium p-cresolateSodium 4-methylphenolateSodium 4-methylphenoxidep-Cresol sodium salt1121-70-6Sodium p-cresoxide4-Methylphenol sodium saltp-Cresol, sodium saltSodium p-methylphenoxideSODIUM P-METHYLPHENOLATEHSDB 5445Phenol, 4-methyl-, sodium salt

이름 더 보기

UNII-2K40O5HUMGEINECS 214-335-7DTXSID6061523Sodium pcresolateSodium pcresoxidepCresol sodium saltpCresol, sodium saltSodium pmethylphenoxide

데이터베이스 식별자

CAS: 1121-70-6
PubChem CID: 23673456
DTXSID: DTXSID6061523
UNII: 2K40O5HUMG
EC Number: 214-335-7
Nikkaji: J31.026C

물성

구조 계산 물성

극성 표면적: 23.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 67.3

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Phenols

안전 및 규제

유해성 정보

Fire Potential · 1건

SODIUM P-CRESOLATE SOLN WAS DEHYDRATED AZEOTROPICALLY WITH BOILING CHLOROBENZENE & THE FILTERED SOLID WAS DRIED IN OVEN, WHERE IT SOON IGNITED & GLOWED LOCALLY. THIS CONTINUED FOR 1/2 HR AFTER IT WAS REMOVED FROM OVEN. ... FINELY DIVIDED & MOIST ALKALI PHENOLATES MAY BE PRONE TO VIGOROUS OXIDATION WHEN HEATED IN AIR.

Hazards SummaryCauses respiratory depression, ataxia, and convulsions in subcutaneous, lethal-dose studies of mice; [RTECS] See Cresol, all isomers.

독성 정보

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

Human Toxicity Excerpts · 5건

SYMPTOMATOLOGY: 1. BURNING PAIN IN MOUTH & THROAT. WHITE NECROTIC LESIONS IN MOUTH, ESOPHAGUS & STOMACH. ABDOMINAL PAIN, VOMITING...& BLOODY DIARRHEA. 2. PALLOR, SWEATING, WEAKNESS, HEADACHE, DIZZINESS, TINNITUS. /PHENOL/

SYMPTOMATOLOGY: 3. SHOCK: WEAK IRREGULAR PULSE, HYPOTENSION, SHALLOW RESPIRATIONS, CYANOSIS, PALLOR, & PROFOUND FALL IN BODY TEMP. 4. POSSIBLY FLEETING EXCITEMENT (DELIRIUM), FOLLOWED BY UNCONSCIOUSNESS. CONVULSIONS ARE RARELY SEEN EXCEPT IN CHILDREN. /PHENOL/

SYMPTOMATOLOGY: 5. STERTOROUS BREATHING, MUCOUS RALES, RHONCHI, FROTHING AT NOSE & MOUTH...PULMONARY EDEMA ARE SOMETIMES SEEN. CHARACTERISTIC ODOR OF PHENOL ON BREATH. 6. SCANTY, DARK-COLORED OR "SMOKEY" URINE. /PHENOL/

SYMPTOMATOLOGY: 6. IF DEATH DOES NOT OCCUR PROMPTLY, MODERATELY SEVERE RENAL INSUFFICIENCY MAY APPEAR. 7. DEATH FROM RESPIRATORY, CIRCULATORY OR CARDIAC FAILURE. /PHENOL/

SYMPTOMATOLOGY: 8. IF SPILLED ON SKIN, PAIN IS FOLLOWED PROMPTLY BY NUMBNESS. SKIN BECOMES BLANCHED, & A DRY OPAQUE ESCHAR FORMS OVER THE BURN. WHEN ESCHAR SLOUGHS OFF, A BROWN STAIN REMAINS. /PHENOL/

Non-Human Toxicity Excerpts · 3건

GLAUCOMA HAS BEEN INDUCED EXPERIMENTALLY IN RABBITS & MONKEYS BY INJECTION OF 0.5-1.0% P-CRESOL EMULSION IN PHYSIOLOGIC SALINE INTO THE ANTERIOR CHAMBER. /P-CRESOL/

PHENOL, O- & P-CRESOL HAVE ABOUT EQUAL TOXICITY TO /CATS/... SYMPTOMS OF ACUTE POISONING...MUSCULAR CONVULSIONS, COMA...WITH DEATH ENSUING FROM RESPIRATORY PARALYSIS. CONCN SOLN OF...CRESOL HAVE VIOLENT CORROSIVE EFFECTS. PROSTRATION FROM SHOCK MAY FOLLOW INGESTION OF LARGE AMT. /CRESOL/

PHENOL & 3 ISOMERIC CRESOLS PRODUCE IDENTICAL SYMPTOMS IN POISONED ANIMALS & ALL EXHIBIT TOXICITY OF ABOUT THE SAME MAGNITUDE... /PHENOL/